SCHEMBL1331291

SCHEMBL1331291

CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.80
CHAT P28329 2/20 0.76
EP300 Q09472 4/20 0.75
KAT5 Q92993 2/20 0.75
AURKA O14965 2/20 0.75
KAT2B Q92831 1/20 0.75
CREBBP Q92793 1/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1590966 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL2510587 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL188713 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL14836951 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL19181352 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL2513740 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL188145 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL188242 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL6061352 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL31338605 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025073269-A1 FABI ENZYME INHIBITOR AND USE THEREOF 广州白云山医药集团股份有限公司白云山制药总厂 2025-04-10 WO disclosed
US-9673030-B2 Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry EMORY UNIVERSITY (US) 2017-06-06 US disclosed
US-20110282587-A1 COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY EMORY UNIVERSITY (US) 2011-11-17 US disclosed